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<p class=MsoNormal><font size=3 face="Times New Roman"><span lang=EN-US
style='font-size:12.0pt'>Hi <span class=GramE>Folks !!!!!!!!</span><o:p></o:p></span></font></p>
<p class=MsoNormal><span class=SpellE><font size=3 face="Times New Roman"><span
lang=EN-US style='font-size:12.0pt'>I´m</span></font></span><span lang=EN-US>
trying to build a Coenzyme – Cofactor - Enzyme complex using the “GROMACS
Tutorial for Drug – Enzyme complex” <o:p></o:p></span></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span lang=EN-US
style='font-size:12.0pt'>As I wish to dock two different molecules to my <span
class=SpellE>enzyme´s</span> active site, I named then DRG (as in the tutorial)
and COF. But when I run <span class=SpellE>grompp</span>, the program gives me
the message: “Fatal error:<span style='mso-spacerun:yes'> </span>not
such <span class=SpellE><span class=GramE>moleculetype</span></span><span
class=GramE><span style='mso-spacerun:yes'> </span>COF</span>”. I <span
class=SpellE>tryed</span> several other names to the second molecule but <span
class=SpellE>grompp</span> always halted. So, I would like to know which <span
class=SpellE>moleculetype</span> name <span class=GramE>should I</span> use
that GROMACS will recognize in this case.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span lang=EN-US
style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span lang=EN-US
style='font-size:12.0pt'>Thanks a lot in advance.<o:p></o:p></span></font></p>
<p class=MsoNormal><span class=SpellE><font size=3 face="Times New Roman"><span
style='font-size:12.0pt;mso-ansi-language:PT-BR'>Tanos</span></font></span><span
style='mso-ansi-language:PT-BR'> C. C. Franca.<o:p></o:p></span></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt;mso-ansi-language:PT-BR'>IME – Rio de Janeiro - RJ <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span style='font-size:10.0pt;
font-family:Arial;mso-ansi-language:PT-BR'><o:p> </o:p></span></font></p>
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